• Korean Journal of Crystallography
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• v.15 no.1
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• pp.24-28
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• 2004

The structure of $C_{12}H_{15}N_3O_3$ has been determined by X-ray diffraction methods. The crystal system is monoclinic, space group $P2_1/c$, unit cell constants, a = 12.9955(9) ${\AA}$, b = 7.7137(5) ${\AA}$, c = 13.4699(11) ${\AA}$, ${\beta}$ = 107.86(1)$^{\circ}$, V = 1285.2(1) ${\AA}^3$, T = 296 K, Z = 4, $D_c$ = 1.350 $Mgm^{-3}$. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated Mo $K{\alpha}$ radiation (${\lambda}$ = 1.71073 ${\AA}$). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R = 4.19% for 1644 unique observed $F_0\;>\;4{\sigma}(F_0)$ reflections 193 parameters.

• Korean Journal of Crystallography
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• v.13 no.2
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• pp.91-95
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• 2002

The structure of Cantharidin (Hexahydro-3a,7a-dimethy1-4,7-epoxyisobenzofuran-1,3-dione, C/sub 10/H/sub 12/O/sub 4/)has been determined by X-ray diffraction methods. The crystal system is orthorhombic, space group Pna2/sub 1/, unit cell constants, a＝11.0731(9) (equation omitted), b＝6.7344(4) (equation omitted), c＝12.5000(9) (equation omitted), α＝β＝γ＝90°, V＝932.13(12) (equation omitted), T=296K, Z＝4, D/sub c/＝1.398Mgm/sup -3/. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated MoKα radiation(λ＝0.71073(equation omitted)). The molecular structure was solved by direct methods and refined by full-matrix least squares to a final R＝4.42% for 759 unique observed F/sub o/>4σ(F/sub o/) reflections and 140 parameters.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.71-76
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• 1998

Crystal structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II0 has been determined by X-ray crystallography. Crystal data : (Pd(C2H8N2)2.Pd(C2O4)2), Fw=509.04, Monocline, Space Group P21/c (no=14), a=6.959(2), b=13.506(2), c=15.339(2) Å, β=99.94(3), Z=4, V=1420 Å3, Dc=2.380 gcm-3, μ=25.46cm-1, F(000)=992. The intensity data were collected with Mo-Kα radiation (λ=0.7107 Å) on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were R=0.021, Rw=0.030, Rall=0.032 abd S=2.1 for 1472 observed reflections. The essentially planar complex anions form diade of interplanar distances of 3.41 Å and their diads are stacked along aaxis with interplanar separation of 3.44 Å.

• Bulletin of the Korean Chemical Society
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• v.13 no.4
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• pp.363-367
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• 1992

The crystal structure of (1,3,6,9,11,14-hexaazatricycol[12.2.1.$1^{6,9}$]octadecane)copper(Ⅱ) perchlorate, Cu($C_{12}H_{26}N_6$)$(ClO_4)_2$, has been determined by the X-ray diffraction methods. The crystal data are as follows: Mr=516.9, triclinic, ${\alpha}=8.572\;(2)$, b=8.499 (3), c=15.204 (3) ${\AA}$, ${\alpha}=80.42\;(5),\;{\beta}=73.57\;(3),\;{\gamma}=69.82\;(4)^{\circ},\;V=994.2\;{\AA}^3,\;D_C=1.726\;gcm^{-3}$, space group $P{\tilde{1}},\;Z=2,\;{\mu}=21.27\;cm^{-1}&, F(000)=534 and T=297 K. The structure was solved by direct methods and refined by full-matrix least-squares methods to and R value of 0.081 for 1608 observed reflections measured with graphite-mono-chromated Mo Ka radiation on a diffractometer. There are two independent complexes in the unit cell. The two copper ions lie at the special positions (1/2, 0, 0) and (0, 1/2, 1/2)and each complex possesses crystallographic center of symmetry. Each Cu ion is coordinated to four nitrogen donors if the hexaazamacrotricyclic ligand and weakly interacts with two oxygen atoms of the perchlorate ions to form a tetragonally distorted octahedral coordination geometry. The Cu_N (sec), Cu_N(tert) and Cu_O coordination distances are 1.985 (14), 2.055 (14) and 2.757 (13) ${\AA}$ for the complex A and 1.996 (10), 2.040 (11) and 2.660 (13) ${\AA}$ for the complex B, respectively. The macrocycles in the two independent cations assume a similar conformation with the average r.m.s. deviation of 0.073 ${\AA}$. Two 1,3-diazacyclopentane ring moieties of the hexaazamacrotricyclic ligand are placed oppositely and almost perpendicularly to the square coordination plane of the ruffled 14-membered macrocycle. The secondary N atoms are hydrogen-bonded to the perchlorate O atoms with distances of 3.017 (23) and 3.025 (19) ${\AA}$ for the complexes A and B, respectively.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.25 no.6
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• pp.549-558
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• 2012

A topology optimization method for phononic crystals is developed for the design of sound barriers, using the level set approach. Given a frequency and an incident wave to the phononic crystals, an optimal shape of periodic inclusions is found by minimizing the norm of transmittance. In a sound field including scattering bodies, an acoustic wave can be refracted on the obstacle boundaries, which enables to control acoustic performance by taking the shape of inclusions as the design variables. In this research, we consider a layered structure which is composed of inclusions arranged periodically in horizontal direction while finite inclusions are distributed in vertical direction. Due to the periodicity of inclusions, a unit cell can be considered to analyze the wave propagation together with proper boundary conditions which are imposed on the left and right edges of the unit cell using the Bloch theorem. The boundary conditions for the lower and the upper boundaries of unit cell are described by impedance matrices, which represent the transmission of waves between the layered structure and the semi-infinite external media. A level set method is employed to describe the topology and the shape of inclusions. In the level set method, the initial domain is kept fixed and its boundary is represented by an implicit moving boundary embedded in the level set function, which facilitates to handle complicated topological shape changes. Through several numerical examples, the applicability of the proposed method is demonstrated.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.26 no.5
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• pp.914-923
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• 2002

Recently, there has been considerable interest in micro gyroscopes made of silicon chips. It can be applied to many micro-electro-mechanical systems (MEMS): devices for stabilization, general rate control, directional pointing, autopilot systems, and missile control. This paper shows how the mechanical design of the gyroscope can be done using axiomatic design, followed by the application of the Taguchi robust design method to determine the dimensions of the parts so as to accommodate the dimensional variations introduced during manufacturing. Functional requirements are defined twofold. One is that the natural frequencies should have fixed values, and the other is that the system should be robust to large tolerances. According to the Independence Axiom, design parameters are classified into a few groups. Then, the detailed design process is performed fellowing the sequence indicated by the design matrix. The dimensions of the structure are determined to have constant values fur the difference of frequencies without consideration of the tolerances. It is noted that the Taguchi concept is utilized as a unit process of the entire axiomatic approach.

• Steel and Composite Structures
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• v.52 no.3
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• pp.343-356
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• 2024

This paper presents an analytical solution for correctly predicting the Lateral-Torsional Buckling critical moment of simply supported castellated beams, the solution covers uniformly distributed loads combined with compressive loads. For this purpose, the castellated beam section with hexagonal-type perforation is treated as an arrangement of double "T" sections, composed of an upper T section and a lower T section. The castellated beam with regular openings is considered as a periodic repeating structure of unit cells. According to the kinematic model, the energy principle is applied in the context of geometric nonlinearity and the linear elastic behavior of materials. The differential equilibrium equations are established using Galerkin's method and the tangential stiffness matrix is calculated to determine the critical lateral torsional buckling loads. A Finite Element simulation using ABAQUS software is performed to verify the accuracy of the suggested analytical solution, each castellated beam is modelled with appropriate sizes meshes by thin shell elements S8R, the chosen element has 8 nodes and six degrees of freedom per node, including five integration points through the thickness, the Lanczos eigen-solver of ABAQUS was used to conduct elastic buckling analysis. It has been demonstrated that the proposed analytical solution results are in good agreement with those of the finite element method. A parametric study involving geometric and mechanical parameters is carried out, the intensity of the compressive load is also included. In comparison with the linear solution, it has been found that the linear stability underestimates the lateral buckling resistance. It has been confirmed that when high axial loads are applied, an impressive reduction in critical loads has been observed. It can be concluded that the obtained analytical solution is efficient and simple, and offers a rapid and direct method for estimating the lateral torsional buckling critical moment of simply supported castellated beams.

• Journal of the Korean Chemical Society
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• v.35 no.6
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• pp.630-635
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• 1991

The crystal structure of a bromine sorption complex of dehydrated fully $Ca^{2+}$-exchanged zeolite A (a = 12.211(2) ${\AA}$) has been determined by single-crystal X-ray diffraction techniques in the cubic space group, Pm3m at $21(1)^{\circ}C$. The crystal was prepared by dehydration at $360^{\circ}C$ and 2 ${\times}$ $10^{-6}$ Torr for 2 days, followed by exposure to about 180 Torr of bromine vapor at $24^{\circ}C$ for 30 min. In the resulting structure, six $Ca^{2+}$ ions are located on two different threefold axes associated with 6-ring oxygens. A total of six dibromine molecules are sorbed per unit cell. Each $Br_2$ molecule approaches a framework oxide ion axially, with O-Br = 3.12(7) ${\AA}$, Br-Br = 2.64(9) ${\AA}$ and O-Br-Br = $178(2)^{\circ}$, indicating a charge-transfer interaction. Full-matrix least-squares refinement converged to a conventional R index of 0.104 using the 103 independent reflections for which I > 3${\sigma}$ (I).

• Journal of the Korean Chemical Society
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• v.25 no.6
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• pp.343-350
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• 1981

The crystal and molecular structure of P-aminobenzaldehyde cyclohexylthiosemicarbazone, C14H20N4S, has been determined from 2712 integrated intensities measured on a computer controlled four circle diffractometer with monochromated $CuK_{\alpha}$, X-ray radiation. The crystals are monoclinic, space group C2/c with eight molecules in a unit cell of dimensions, a = 12.488(2), b = 12.276(4), c = 19.997(6)${\AA}$ and ${\beta}=103.55(3)^{\circ}$. The structure was solved by Patterson and Fourier method and refined by a full-matrix least squares method to a final R value of 0.058 for all reflections. The C(8)-S bond is trans to N(2)-N(3) and C(8)-N(1) is cis to N(2)-N(3) bond. The cyclohexane ring has chair conformation and makes an angle of $40.7^{\circ}$ with the benzene ring. The molecules are linked by N(2)H…S hydrogen bonds into dimer-like units which are held together by $N-H{\ldots}N$ hydrogen bonds. Sulfur accepts second rather weak hydrogen bond from N(4). An intramolecular hydrogen bond exists between N(1) and N(3) atoms.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.20 no.10
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• pp.1919-1926
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• 2016

Because of the enormous processing ability, General-Purpose Graphics Processing Unit(GPGPU) has been applied to many fields including electronics design automation. The SAT algorithm is one of the core algorithm in many electronics design automation tools. There has been some efforts to apply GPGPU to the SAT algorithm, but it is difficult to parallelize the SAT algorithm because of its characteristics. In this paper, I applied GPGPU to the SAT algorithm by parallelizing the propagation routine that is relatively suitable to parallel processing. On the basis of the similarity of the propagation routine to the sparse matrix multiplication, the data structure for the SAT problem is constituted, and the parallel propagation routine is described. To prevent data loss between paralllel threads, atomic operations are exploited. The experimental results for some benchmark SAT problems show that the proposed algorithm is superior to the previous GPGPU-based SAT solver.